SCHEMBL457722

SCHEMBL457722

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(N)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
DPP4 P27487 7/20 0.39
F2R P25116 1/20 0.37
NPY5R Q15761 4/20 0.36
NR1H2 P55055 1/20 0.36
RET P07949 2/20 0.36
KDM1A O60341 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL457724 1.00 NTRK1 (0.41) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL470735 0.92 NTRK1 (0.42) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL470570 0.91 NTRK1 (0.43) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL610961 0.91 NTRK1 (0.41) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL458712 0.91 NTRK1 (0.41) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL6128115 0.90 NTRK1 (0.41) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL14722979 0.90 NTRK1 (0.41) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL12064789 0.89 NTRK1 (0.40) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL14723522 0.89 NR1H2 (0.42) NTRK1DPP4F2RNPY5RNR1H2
SCHEMBL10058395 0.89 NTRK1 (0.39) NTRK1DPP4F2RNPY5RNR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed